cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane

C11H20 — CID 154825120

IUPACcis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
SMILESC=C1C[C@@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C11H20/c1-8(2)11-6-5-9(3)7-10(11)4/h8-9,11H,4-7H2,1-3H3/t9-,11-/m0/s1
InChIKeyDEGNFHVRBRNTBM-ONGXEEELSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds1

About cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane

cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane (PubChem CID 154825120) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
PubChem CID154825120
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Namecis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
SMILESC=C1C[C@@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C11H20/c1-8(2)11-6-5-9(3)7-10(11)4/h8-9,11H,4-7H2,1-3H3/t9-,11-/m0/s1
InChIKeyDEGNFHVRBRNTBM-ONGXEEELSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
CID 130756041
ethane;1-methylidene-2-propan-2-ylcyclopentane
CID 142862595
trans-(Z,2S,5R)-5-methyl-2-propan-2-yl-N-prop-2-enoxycyclohexan-1-imine
CID 46945726
trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane
CID 15357315
2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol
CID 145283951
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal
CID 11229797
(4S,4aS)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
CID 23426589
(1R,4S,4aR)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
CID 10750739

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane?
The IUPAC name of cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane (CID 154825120) is cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane.
What is the SMILES notation for cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane?
The canonical SMILES for cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane is C=C1C[C@@H](C)CC[C@H]1C(C)C.
What is the InChIKey of cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane?
The InChIKey is DEGNFHVRBRNTBM-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)11-6-5-9(3)7-10(11)4/h8-9,11H,4-7H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane?
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane is sourced from PubChem (CID 154825120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).