5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene

C23H40 — CID 90776406

IUPAC5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC=CC=C1C(C)CCC2(C)C1CCC2C(CC)CCCC(C)C
InChIInChI=1S/C23H40/c1-7-10-20-18(5)15-16-23(6)21(13-14-22(20)23)19(8-2)12-9-11-17(3)4/h7,10,17-19,21-22H,1,8-9,11-16H2,2-6H3
InChIKeyNEFCTXJLWIDTBT-UHFFFAOYSA-N
MW316.57 g/mol
LogP7.41
Rot. Bonds7

About 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene

5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene (PubChem CID 90776406) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
PubChem CID90776406
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC=CC=C1C(C)CCC2(C)C1CCC2C(CC)CCCC(C)C
InChIInChI=1S/C23H40/c1-7-10-20-18(5)15-16-23(6)21(13-14-22(20)23)19(8-2)12-9-11-17(3)4/h7,10,17-19,21-22H,1,8-9,11-16H2,2-6H3
InChIKeyNEFCTXJLWIDTBT-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4E)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 20751368
7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 123643903
4-ethylidene-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 72511490
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(3S)-7-methyloctan-3-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(3R)-7-methyloctan-3-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 159906706
(1R,3aR,4Z,7aR)-4-(bromomethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 177463192
(10R,17R)-10,13-dimethyl-17-[(3R)-7-methyloctan-3-yl]-3-propyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 145189649
(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 24779628
(4E)-7a-ethyl-1-(6-methylheptan-2-yl)-4-[(2Z)-2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143831302
[(E)-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-tributylstannane
CID 134887193
(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;molecular hydrogen
CID 153373254
3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 176928958
(9S,14R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 156895362

Frequently Asked Questions

What is the IUPAC name of 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
The IUPAC name of 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene (CID 90776406) is 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
The canonical SMILES for 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene is C=CC=C1C(C)CCC2(C)C1CCC2C(CC)CCCC(C)C.
What is the InChIKey of 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
The InChIKey is NEFCTXJLWIDTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40/c1-7-10-20-18(5)15-16-23(6)21(13-14-22(20)23)19(8-2)12-9-11-17(3)4/h7,10,17-19,21-22H,1,8-9,11-16H2,2-6H3.
What are the key properties of 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene has a molecular weight of 316.57 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7a-dimethyl-1-(7-methyloctan-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 90776406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).