(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene

C18H24O — CID 140937731

IUPAC(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
SMILESC=C(C)C1=C2[C@H]3C=C[C@]4(CCC[C@H]4C[C@@]2(C)CC1)O3
InChIInChI=1S/C18H24O/c1-12(2)14-6-9-17(3)11-13-5-4-8-18(13)10-7-15(19-18)16(14)17/h7,10,13,15H,1,4-6,8-9,11H2,2-3H3/t13-,15+,17+,18-/m0/s1
InChIKeyBLGGNBZIGKIGNH-NZPGVSJUSA-N
MW256.39 g/mol
LogP4.56
Rot. Bonds1

About (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene

(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene (PubChem CID 140937731) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene.

Molecular Properties

Compound Name(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
PubChem CID140937731
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
SMILESC=C(C)C1=C2[C@H]3C=C[C@]4(CCC[C@H]4C[C@@]2(C)CC1)O3
InChIInChI=1S/C18H24O/c1-12(2)14-6-9-17(3)11-13-5-4-8-18(13)10-7-15(19-18)16(14)17/h7,10,13,15H,1,4-6,8-9,11H2,2-3H3/t13-,15+,17+,18-/m0/s1
InChIKeyBLGGNBZIGKIGNH-NZPGVSJUSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-Methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 138514514
(1R,5S,7R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 140937744
trimethyl-[[(1R,5S,7R,12R)-7-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-dien-10-yl]oxy]silane
CID 141653186
4'-Ethyl-2,2,6-trimethyl-3'-propylspiro[1,5-dihydroazulene-3,2'-oxolane];octane
CID 143203342
4-Methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene
CID 156500300
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213677
4'-Ethyl-2,2,6-trimethyl-3'-propylspiro[1,5-dihydroazulene-3,2'-oxolane]
CID 143203343
(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995173
(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995175
(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995176
(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213678
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213679

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
The IUPAC name of (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene (CID 140937731) is (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene.
What is the SMILES notation for (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
The canonical SMILES for (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene is C=C(C)C1=C2[C@H]3C=C[C@]4(CCC[C@H]4C[C@@]2(C)CC1)O3.
What is the InChIKey of (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
The InChIKey is BLGGNBZIGKIGNH-NZPGVSJUSA-N. The full InChI is InChI=1S/C18H24O/c1-12(2)14-6-9-17(3)11-13-5-4-8-18(13)10-7-15(19-18)16(14)17/h7,10,13,15H,1,4-6,8-9,11H2,2-3H3/t13-,15+,17+,18-/m0/s1.
What are the key properties of (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene has a molecular weight of 256.39 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene is sourced from PubChem (CID 140937731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).