(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol

C12H20O — CID 58687885

IUPAC(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C(C)(C)C)CCC[C@H]1O
InChIInChI=1S/C12H20O/c1-9-10(8-12(2,3)4)6-5-7-11(9)13/h8,11,13H,1,5-7H2,2-4H3/b10-8-/t11-/m1/s1
InChIKeySMWOVLPDXAIWBW-HIJJYWJESA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds

About (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol

(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol (PubChem CID 58687885) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol
PubChem CID58687885
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C(C)(C)C)CCC[C@H]1O
InChIInChI=1S/C12H20O/c1-9-10(8-12(2,3)4)6-5-7-11(9)13/h8,11,13H,1,5-7H2,2-4H3/b10-8-/t11-/m1/s1
InChIKeySMWOVLPDXAIWBW-HIJJYWJESA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol
CID 11791593
2,3-dimethylidenecyclohexan-1-ol;ethane
CID 142053624
(1S)-2,3-dimethylidenecyclohexan-1-ol
CID 142175224
(1S,3Z)-3-[(2E)-2-[1-(3-hydroxy-3-methylbut-1-ynyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 142600853
(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
CID 122452595
tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
CID 118155899
(1S,3Z)-3-[(2E)-2-[(7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 89078727
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-(3-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,2-dimethylheptan-3-one
CID 143259353
(3Z)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 142115399
2-ethylidenecyclopentan-1-ol
CID 72740887
(1R)-2,3-bis(ethenyl)cyclohex-2-en-1-ol;ethane;fluoromethane
CID 143947837
1-[(2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S)-3-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propoxy]-3,3-dimethylbutan-2-one
CID 143259339

Frequently Asked Questions

What is the IUPAC name of (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol?
The IUPAC name of (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol (CID 58687885) is (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol?
The canonical SMILES for (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol is C=C1/C(=C\C(C)(C)C)CCC[C@H]1O.
What is the InChIKey of (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol?
The InChIKey is SMWOVLPDXAIWBW-HIJJYWJESA-N. The full InChI is InChI=1S/C12H20O/c1-9-10(8-12(2,3)4)6-5-7-11(9)13/h8,11,13H,1,5-7H2,2-4H3/b10-8-/t11-/m1/s1.
What are the key properties of (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol?
(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 58687885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).